<div class="gmail_quote">On Wed, Oct 17, 2012 at 4:46 PM, Berk Hess <span dir="ltr"><<a href="mailto:hess@kth.se" target="_blank">hess@kth.se</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<br><br>Apparently icc can compile the code, so than it's not strange that you end up in this situation. But we should avoid this from happening.<br>SSE4.1 would be the next supported level, but you really want the vex instructions and not plain SSE, as the latter is much slower.<br>
</blockquote><div><br></div><div>AMD explicitly states that only up to -msse3 should be used on Bulldozer and I have never tried to generate SSE4.1 instructions with icc and run it on AMD. I would not be surprised if it didn't work.</div>
<div><br></div>--<br>Szilárd<br><div> </div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">The best thing would be to use gcc, preferably 4.7.<br><br>Cheers,<br>
<br>Berk<br><br><div><div class="im">----- Reply message -----<br>From: "Szilárd Páll" <<a href="mailto:szilard.pall@cbr.su.se" target="_blank">szilard.pall@cbr.su.se</a>><br>To: "Discussion list for GROMACS development" <<a href="mailto:gmx-developers@gromacs.org" target="_blank">gmx-developers@gromacs.org</a>><br>
Subject: [gmx-developers] warning Emulating FMA instructions - this is probably not what you want!<br></div><div class="im">Date: Wed, Oct 17, 2012 15:25<br><br></div></div><div class="im"><br>Hi,<div><br></div><div>First of all, as far as I know, the new icc 13 can not generate AMD-compatible FMA4/XOP (v12 surely cant: <a href="http://developer.amd.com/Assets/CompilerOptQuickRef-62004200.pdf" target="_blank">http://developer.amd.com/Assets/CompilerOptQuickRef-62004200.pdf</a>), so I find it strange that you've ended up with GMX_ACCELERATION=AVX_128_FMA using an Intel compiler -- unless you set the acceleration manually. To get FMA4 support you need to use a recent gcc version, the newer the better. The Verlet kernels don't benefit much from FMA4, so if you want to, you can use Intel Compiler, but then you need to set the acceleration to SSE2 (max SSE3 works, but we don't use these instructions).</div>
<div><br></div></div><div><div class="gmail_quote"><div class="im">On Wed, Oct 17, 2012 at 11:14 AM, Jochen Hub <span dir="ltr"><<a href="mailto:jhub@gwdg.de" target="_blank">jhub@gwdg.de</a>></span> wrote:<br></div>
<div class="im"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi developers,<br>
<br>
does anyone know how to interpret this icc warning:<br>
<br>
[ 8%] /home/jhub/src/gromacs/<u></u>include/gmx_x86_avx_128_fma.h(<u></u>88): warning #1224: #warning directive: Emulating FMA instructions - this is probably not what you want!<br>
<br>
#warning Emulating FMA instructions - this is probably not what you want!<br></blockquote><div><br></div></div><div class="im"><div>This warning is related to a bug in the build system, you'll need to add the -mfma4 flag to the compiler flags manually.</div>
<div><br></div><div>--</div><div>Szilard </div><div><br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br><div><div class="h5">
I am compiling 46-release on a Interlagos 6378 with OpenMPI and icc 13.0.0 20120731. My cmake line is:<br>
<br>
cmake $gmxsrc \<br>
-DFFTW_LIBRARY=$FFTW_LOCATION/<u></u>lib/libfftw3f.a \<br>
-DFFTW3F_INCLUDE_DIR=$FFTW_<u></u>LOCATION/include \<br>
-DFFTW3F_LIBRARIES=$FFTW_<u></u>LOCATION/lib/libfftw3f.a \<br>
-DCMAKE_INSTALL_PREFIX=$(pwd) \<br>
-DGMX_X11=OFF \<br>
-DCMAKE_CXX_COMPILER=$MPICXX \<br>
-DCMAKE_C_COMPILER=$MPICC \<br>
-DGMX_MPI=ON \<br>
-DGMX_PREFER_STATIC_LIBS=ON \<br>
-DGMX_GPU=OFF<br>
<br>
and cmake reported:<br>
<br>
-- Performing Test GNU_AVX_CFLAG<br>
-- Performing Test GNU_AVX_CFLAG - Success<br>
-- Enabling 128-bit AVX Gromacs acceleration (with fused-multiply add), and it will help compiler optimization.<br>
<br>
Thanks a lot,<br>
Jochen</div></div><span><font color="#888888"><div><div class="h5"><br>
<br>
<br>
<br>
-- <br>
------------------------------<u></u>---------------------<br>
Dr. Jochen Hub<br>
Computational Molecular Biophysics Group<br>
Institute for Microbiology and Genetics<br>
Georg-August-University of Göttingen<br>
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.<br>
Phone: <a href="tel:%2B49-551-39-14189" value="+495513914189" target="_blank">+49-551-39-14189</a><br>
<a href="http://cmb.bio.uni-goettingen.de/" target="_blank">http://cmb.bio.uni-goettingen.<u></u>de/</a><br>
------------------------------<u></u>---------------------<br>
-- <br></div></div><div class="im">
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